chempirical

Sodium fumarate

C4H3NaO4CAS 7704-73-6138.05 g/mol

Open in Covalent MOL file
O−OOOHNa+
AlkeneCarboxylic acid

Properties

Molecular formula
C4H3NaO4
Molar mass
138.05 g/mol
Exact mass
137.9929 Da
logP
-0.67Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7704-73-6
SMILES
[O-]C(=O)/C=C/C(=O)O.[Na+]
InChIKey
RYDFXSRVZBYYJV-TYYBGVCCSA-N
InChI
InChI=1S/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1+;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2-Butenedioic acid (2E)-, sodium salt (1:?)
  • Fumaric acid, sodium salt
  • 2-Butenedioic acid (E)-, sodium salt
  • 2-Butenedioic acid (2E)-, sodium salt

Work with Sodium fumarate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid Maleic acid110-16-7Free acid, stereo not defined Poly(maleic acid)26099-09-2Free acid, stereo not defined Iron(II) fumarate141-01-5Salt Enalapril maleate76095-16-4Salt, diastereomer Chlorpheniramine maleate113-92-8Salt, stereo not defined Timolol maleate26921-17-5Salt, diastereomer Pyrilamine maleate59-33-6Salt, stereo not defined Clemastine fumarate14976-57-9Salt Calcium fumarate19855-56-2Salt Acepromazine maleate3598-37-6Salt, stereo not defined (±)-Brompheniramine maleate980-71-2Salt, stereo not defined

Similar compounds

Sodium sorbate7757-81-547 % similar Cis,cis-Muconic acid1119-72-844 % similar Muconic acid3588-17-844 % similar Acrylic acid-maleic acid copolymer29132-58-943 % similar Sodium acrylate7446-81-343 % similar Sodium polyacrylate9003-04-743 % similar Sodium bicarbonate144-55-842 % similar Maleamic acid557-24-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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